3-(3-fluorophenyl)oxolane-3-carbaldehyde

• ChemBase编号: 308353
• 分子式: C11H11FO2
• 平均质量: 194.2022432
• 单一同位素质量: 194.07430781
• SMILES: C1(c2cc(F)ccc2)(C=O)COCC1
• Canonical SMILES: O=CC1(COCC1)c1cccc(c1)F
• InChI: InChI=1S/C11H11FO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2
• InChIKey: XCVYIQJSZQHJSE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3-fluorophenyl)oxolane-3-carbaldehyde
• IUPAC传统名: 3-(3-fluorophenyl)oxolane-3-carbaldehyde
• 别名: 3-(3-fluorophenyl)tetrahydro-3-furancarbaldehyde

登记号

• CAS号: 1060817-40-4
• MDL号: MFCD11053959

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5829028
• LogD (pH = 7.4): 1.5829028
• Log P: 1.5829028
• 摩尔折射率: 50.5264 cm^3
• 极化性: 19.256405 Å^3
• 极化表面积: 26.3 Å^2